5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-[4-(phenylmethyl)piperazin-1-yl]-1,3-thiazol-4-one

Systemtic Name: 5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-[4-(phenylmethyl)piperazin-1-yl]-1,3-thiazol-4-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazol-4-one CAS Name: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-[4-(phenylmethyl)-1-piperazinyl]-4-thiazolone IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(4-benzylpiperazino)-5-vanillylidene-2-thiazolin-4-one Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H23N3O3S/c1-28-19-13-17(7-8-18(19)26)14-20-21(27)23-22(29-20)25-11-9-24(10-12-25)15-16-5-3-2-4-6-16/h2-8,13-14,26H,9-12,15H2,1H3